SCHEMBL8772398

SCHEMBL8772398

O=C1CC([S+]([O-])Cc2ccccc2)N1CCCCCCc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
SIGMAR1 Q99720 6/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CCR3 P51677 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8439618 0.93 GSK3A (0.43) GSK3AGSK3BSIGMAR1TDP1L3MBTL1
SCHEMBL8772475 0.92 FAAH (0.42) GSK3AGSK3BSIGMAR1TDP1L3MBTL1
SCHEMBL8772402 0.89 HTR2A (0.43) GSK3AGSK3BSIGMAR1MEN1CYP1A2
SCHEMBL8772495 0.88 GSK3A (0.41) GSK3AGSK3BSIGMAR1L3MBTL1MEN1
SCHEMBL8619484 0.87 GSK3B (0.39) GSK3AGSK3BSIGMAR1TDP1L3MBTL1
SCHEMBL8440707 0.83 HSP90AA1 (0.45) MEN1KMT2ATSHRPLAAT3PLAAT5
SCHEMBL8772523 0.83 HCRTR1 (0.43) GSK3AGSK3BL3MBTL1MGLLMEN1
SCHEMBL8555803 0.83 HRH3 (0.41) SIGMAR1
SCHEMBL8549722 0.80 HRH3 (0.41) SIGMAR1CCR3
SCHEMBL8553197 0.80 HTR2A (0.40) SIGMAR1TDP1MEN1CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed